methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate

C20H22N2O5 — CID 109041371

IUPACmethyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCNc1ccccc1C(=O)OC
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)15-9-5-7-11-17(15)22-18(23)12-13-21-16-10-6-4-8-14(16)19(24)26-2/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFIOXVFMOCJOLMN-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.09
Rot. Bonds8

About methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate

methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate (PubChem CID 109041371) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
PubChem CID109041371
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCNc1ccccc1C(=O)OC
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)15-9-5-7-11-17(15)22-18(23)12-13-21-16-10-6-4-8-14(16)19(24)26-2/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFIOXVFMOCJOLMN-UHFFFAOYSA-N
XLogP3.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899
methyl 2-[3-(2-bromoanilino)propanoylamino]benzoate
CID 109041303
ethyl 2-[3-(3,4-dimethylanilino)propanoylamino]benzoate
CID 109035585
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[3-(2-tert-butylanilino)-3-oxopropyl]amino]benzoate
CID 109037275
ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
CID 109042084
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039007
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7958134
ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
CID 109024225

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate (CID 109041371) is methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCNc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate?
The InChIKey is FIOXVFMOCJOLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-27-20(25)15-9-5-7-11-17(15)22-18(23)12-13-21-16-10-6-4-8-14(16)19(24)26-2/h4-11,21H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate?
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109041371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).